YGa4Rh
Alexandria ALEXAlex-ID: agm005833481 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2345_spg123
Y4Ga16Rh3 Y4Ga12Rh Y2(Ga3Rh)3
2023-08-05 01:23:35.746544
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005833481).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm005833481
data_agm005833481
_cell_length_a 5.99768
_cell_length_b 5.99768
_cell_length_c 8.24013
_cell_angle_alpha 68.66355
_cell_angle_beta 68.66356
_cell_angle_gamma 90.02536
_cell_volume 254.14397
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.50000 0.50000 0.00001 1.00000
Y2 Y 0.00000 0.00000 0.99999 1.00000
Ga1 Ga 0.10048 0.09997 0.29957 1.00000
Ga2 Ga 0.09994 0.59994 0.29978 1.00000
Ga3 Ga 0.60038 0.10037 0.29981 1.00000
Ga4 Ga 0.39963 0.89962 0.70019 1.00000
Ga5 Ga 0.90006 0.40006 0.70022 1.00000
Ga6 Ga 0.89952 0.90003 0.70043 1.00000
Ga7 Ga 0.40003 0.39952 0.70043 1.00000
Ga8 Ga 0.59997 0.60048 0.29957 1.00000
Rh1 Rh 0.75001 0.74999 0.50000 1.00000
Rh2 Rh 0.24999 0.25001 0.50000 1.00000
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